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The transverse thermoelectric effect refers to the conversion of a temperature gradient into a transverse charge current, or vice versa, which appears in a conductor under a magnetic field or in a magnetic material with spontaneous magnetization. Among such phenomena, the anomalous Nernst effect in magnetic materials has been receiving increased attention from the viewpoints of fundamental physics and thermoelectric applications owing to the rapid development of spin caloritronics and topological materials science. In this research trend, a conceptually different transverse thermoelectric conversion phenomenon appearing in thermoelectric/magnetic hybrid materials has been demonstrated, enabling the generation of a large transverse thermopower. Here, we review the recent progress in fundamental and applied studies on the transverse thermoelectric generation using magnetic materials. We anticipate that this perspective will further stimulate research activities on the transverse thermoelectric generation and lead to the development of next-generation thermal energy harvesting and heat-flux sensing technologies.
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We phenomenologically calculate the performance of the recently-observed Seebeck-driven transverse thermoelectric generation (STTG) for various systems in terms of the thermopower, power factor, and figure of merit to demonstrate the usefulness of STTG. The STTG system consists of a closed circuit comprising thermoelectric and magnetic materials which exhibit the Seebeck and anomalous Hall effects, respectively. When a temperature gradient is applied to the hybrid system, the Seebeck effect in the thermoelectric material layer generates a longitudinal charge current in the closed circuit and the charge current subsequently drives the anomalous Hall effect in the magnetic material layer. The anomalous Hall voltage driven by the Seebeck effect has a similar symmetry to the transverse thermoelectric conversion based on the anomalous Nernst effect. We find that the thermoelectric properties of STTG can be much better than those of the anomalous Nernst effect by increasing the Seebeck coefficient and anomalous Hall angle of the thermoelectric and magnetic materials, respectively, as well as by optimizing their dimensions. We also formulate the electronic cooling performance in the STTG system, confirming the reciprocal relation for the hybrid transverse thermoelectric conversion.
Chemical doping is one of the most important strategies for tuning electrical properties of semiconductors, particularly thermoelectric materials. Generally, the main role of chemical doping lies in optimizing the carrier concentration, but there can potentially be other important effects. Here, we show that chemical doping plays multiple roles for both electron and phonon transport properties in half-Heusler thermoelectric materials. With ZrNiSn-based half-Heusler materials as an example, we use high-quality single and polycrystalline crystals, various probes, including electrical transport measurements, inelastic neutron scattering measurement, and first-principles calculations, to investigate the underlying electron-phonon interaction. We find that chemical doping brings strong screening effects to ionized impurities, grain boundary, and polar optical phonon scattering, but has negligible influence on lattice thermal conductivity. Furthermore, it is possible to establish a carrier scattering phase diagram, which can be used to select reasonable strategies for optimization of the thermoelectric performance.
Magnetic coercivity is often viewed to be lower in alloys with negligible (or zero) values of the anisotropy constant. However, this explains little about the dramatic drop in coercivity in FeNi alloys at a non-zero anisotropy value. Here, we develop a theoretical and computational tool to investigate the fundamental interplay between material constants that govern coercivity in bulk magnetic alloys. The two distinguishing features of our coercivity tool are that: (a) we introduce a large localized disturbance, such as a spike-like magnetic domain, that provides a nucleation barrier for magnetization reversal; and (b) we account for magneto-elastic energy -- however small -- in addition to the anisotropy and magnetostatic energy terms. We apply this coercivity tool to show that the interactions between local instabilities and material constants, such as anisotropy and magnetostriction constants, are key factors that govern magnetic coercivity in bulk alloys. Using our model, we show that coercivity is minimum at the permalloy composition (Fe-21.5Ni-78.5) at which the alloys anisotropy constant is not zero. We systematically vary the values of the anisotropy and magnetostriction constants, around the permalloy composition, and identify new combinations of material constants at which coercivity is small. More broadly, our coercivity tool provides a theoretical framework to potentially discover novel magnetic materials with low coercivity.
As the energy problem becomes more prominent, researches on thermoelectric (TE) materials have deepened over the past few decades. Low thermal conductivity enables thermoelectric materials better thermal conversion performance. In this study, based on the first principles and phonon Boltzmann transport equation, we studied the thermal conductivities of single-layer WSe2 under several defect conditions using density functional theory (DFT) as implemented in the Vienna Ab-initio Simulation Package (VASP). The lattice thermal conductivities of WSe2 under six kinds of defect states, i.e., PS, SS-c, DS-s, SW-c, SS-e, and DS-d, are 66.1, 41.2, 39.4, 8.8, 42.1, and 38.4 W/(m2K), respectively at 300 K. Defect structures can reduce thermal conductivity up to 86.7% (SW-c) compared with perfect structure. The influences of defect content, type, location factors on thermal properties have been discussed in this research. By introducing atom defects, we can reduce and regulate the thermal property of WSe2, which should provide an interesting idea for other thermoelectric materials to gain a lower thermal conductivity.
We report $^{59}$Co, $^{93}$Nb, and $^{121}$Sb nuclear magnetic resonance (NMR) measurements combined with density functional theory (DFT) calculations on a series of half-Heusler semiconductors, including NbCoSn, ZrCoSb, TaFeSb and NbFeSb, to better understand their electronic properties and general composition-dependent trends. These materials are of interest as potentially high efficiency thermoelectric materials. Compared to the other materials, we find that ZrCoSb tends to have a relatively large amount of local disorder, apparently antisite defects. This contributes to a small excitation gap corresponding to an impurity band near the band edge. In NbCoSn and TaFeSb, Curie-Weiss-type behavior is revealed, which indicates a small density of interacting paramagnetic defects. Very large paramagnetic chemical shifts are observed associated with a Van Vleck mechanism due to closely spaced $d$ bands splitting between the conduction and valence bands. Meanwhile, DFT methods were generally successful in reproducing the chemical shift trend for these half-Heusler materials, and we identify an enhancement of the larger-magnitude shifts, which we connect to electron interaction effects. The general trend is connected to changes in $d$-electron hybridization across the series.
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